N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-difluoro-benzenesulfonamide Formula: C19H22F2N2O5S2 MolecularWeight: 460.515186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C19H22F2N2O5S2/c1-28-18-9-7-15(30(26,27)23-10-4-2-3-5-11-23)13-17(18)22-29(24,25)19-12-14(20)6-8-16(19)21/h6-9,12-13,22H,2-5,10-11H2,1H3